1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol

C10H12BrFO3S — CID 115601604

IUPAC1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol
SMILESCS(=O)(=O)CC(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFO3S/c1-16(14,15)6-9(13)5-7-4-8(11)2-3-10(7)12/h2-4,9,13H,5-6H2,1H3
InChIKeyUEZUFLXCDKFIII-UHFFFAOYSA-N
MW311.17 g/mol
LogP1.54
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol

1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol (PubChem CID 115601604) has the molecular formula C10H12BrFO3S and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol
PubChem CID115601604
Molecular FormulaC10H12BrFO3S
Molecular Weight311.17 g/mol
Exact Mass309.97
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol
SMILESCS(=O)(=O)CC(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFO3S/c1-16(14,15)6-9(13)5-7-4-8(11)2-3-10(7)12/h2-4,9,13H,5-6H2,1H3
InChIKeyUEZUFLXCDKFIII-UHFFFAOYSA-N
XLogP1.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol (CID 115601604) is 1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol is CS(=O)(=O)CC(O)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol?
The InChIKey is UEZUFLXCDKFIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO3S/c1-16(14,15)6-9(13)5-7-4-8(11)2-3-10(7)12/h2-4,9,13H,5-6H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol?
1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol has a molecular weight of 311.17 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-methylsulfonylpropan-2-ol is sourced from PubChem (CID 115601604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).